SCHEMBL14511809

SCHEMBL14511809

COc1cc(-c2ccc(OS(C)(=O)=O)c(F)c2)c(OC)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.47
▸ PTGS1 P23219 8/20 0.43
▸ NR3C1 P04150 1/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14511819 0.86 PTGS2 (0.44) PTGS2PTGS1NR3C1
SCHEMBL14511793 0.84 KMT2A (0.40) PTGS2CDK4CCND1
SCHEMBL14511797 0.83 PTGS2 (0.43) PTGS2
SCHEMBL14537817 0.82 MAPT (0.38) PTGS2PTGS1CDK4CCND1
SCHEMBL14511817 0.81 PTGS2 (0.41) PTGS2PTGS1NR3C1
SCHEMBL14511815 0.81 TSHR (0.43) CDK4CCND1
SCHEMBL14512349 0.77 ERN1 (0.52) PTGS2PTGS1
SCHEMBL14537815 0.77 CA12 (0.43) PTGS2
SCHEMBL14511821 0.77 CYP17A1 (0.45) PTGS2NR3C1
SCHEMBL14511816 0.76 PDGFRB (0.42) PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220783-B2 Para-terphenyl compounds SHIONOGI & CO., LTD. (JP) 2007-05-22 — — US disclosed
US-7220783-B2 Para-terphenyl compounds SHIONOGI & CO., LTD. (JP) 2007-05-22 — — US disclosed
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